2-[4-chloranyl-2-[[(3S)-4-[2-[2-fluoranyl-4-(trifluoromethyl)phenyl]ethanoyl]-3-methyl-piperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[[(3S)-4-[2-[2-fluoranyl-4-(trifluoromethyl)phenyl]ethanoyl]-3-methyl-piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[[(3S)-4-[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl]-3-methyl-piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[[(3S)-4-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-oxoethyl]-3-methyl-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[[(3S)-4-[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl]-3-methylpiperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[[(3S)-4-[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl]-3-methyl-piperazino]methyl]phenoxy]acetic acid Formula: C23H23ClF4N2O4 MolecularWeight: 502.886333

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=C(C=C(C=C2)C(F)(F)F)F)CC3=C(C=CC(=C3)Cl)OCC(=O)O

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)CC2=C(C=C(C=C2)C(F)(F)F)F)CC3=C(C=CC(=C3)Cl)OCC(=O)O

InChI

InChI=1S/C23H23ClF4N2O4/c1-14-11-29(12-16-8-18(24)4-5-20(16)34-13-22(32)33)6-7-30(14)21(31)9-15-2-3-17(10-19(15)25)23(26,27)28/h2-5,8,10,14H,6-7,9,11-13H2,1H3,(H,32,33)/t14-/m0/s1